cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium

C16H22Ru — CID 172716500

IUPACcyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
SMILESC1=CCCC=C1.Cc1ccccc1C(C)C.[Ru]
InChIInChI=1S/C10H14.C6H8.Ru/c1-8(2)10-7-5-4-6-9(10)3;1-2-4-6-5-3-1;/h4-8H,1-3H3;1-4H,5-6H2;
InChIKeyFXXIDHFCYCVLDM-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.01
Rot. Bonds1

About cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium

cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium (PubChem CID 172716500) has the molecular formula C16H22Ru and a molecular weight of 315.42 g/mol. Its IUPAC name is cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium.

Molecular Properties

Compound Namecyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
PubChem CID172716500
Molecular FormulaC16H22Ru
Molecular Weight315.42 g/mol
Exact Mass316.08
IUPAC Namecyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
SMILESC1=CCCC=C1.Cc1ccccc1C(C)C.[Ru]
InChIInChI=1S/C10H14.C6H8.Ru/c1-8(2)10-7-5-4-6-9(10)3;1-2-4-6-5-3-1;/h4-8H,1-3H3;1-4H,5-6H2;
InChIKeyFXXIDHFCYCVLDM-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexa-1,3-diene;1,2-xylene
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bis(1-methyl-2-propan-2-ylbenzene);toluene
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1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
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1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-[di(propan-2-yloxy)methyl]-2-methylbenzene
CID 22034845
CID 19362082
CID 19362082
O-[1-(2-methylphenyl)ethyl]hydroxylamine
CID 117104896

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium?
The IUPAC name of cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium (CID 172716500) is cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium.
What is the SMILES notation for cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium?
The canonical SMILES for cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium is C1=CCCC=C1.Cc1ccccc1C(C)C.[Ru].
What is the InChIKey of cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium?
The InChIKey is FXXIDHFCYCVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C6H8.Ru/c1-8(2)10-7-5-4-6-9(10)3;1-2-4-6-5-3-1;/h4-8H,1-3H3;1-4H,5-6H2;.
What are the key properties of cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium?
cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium has a molecular weight of 315.42 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium is sourced from PubChem (CID 172716500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).